==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-JUN-00 1F4X . COMPND 2 MOLECULE: ANTIBODY S-20-4, FAB FRAGMENT, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.M.ALZARI,H.SOUCHON . 426 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 41.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 50 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 7 2 5 8 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 L Q 0 0 149 0, 0.0 98,-0.0 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0-176.0 4.2 -10.6 25.7 2 2 L A - 0 0 10 23,-0.0 2,-0.4 90,-0.0 90,-0.1 -0.249 360.0-145.3 -72.1 154.4 6.1 -12.4 23.0 3 3 L V - 0 0 89 96,-0.1 22,-1.8 2,-0.0 2,-0.4 -0.910 19.1-154.7-107.2 133.7 8.3 -10.8 20.4 4 4 L V E -A 24 0A 10 -2,-0.4 98,-0.5 96,-0.4 2,-0.4 -0.974 10.8-167.1-112.1 130.3 8.1 -12.8 17.1 5 5 L T E +A 23 0A 82 18,-2.9 18,-2.2 -2,-0.4 2,-0.3 -0.940 10.1 175.4-129.6 145.1 11.0 -12.6 14.7 6 6 L Q E -A 22 0A 26 -2,-0.4 16,-0.2 16,-0.2 96,-0.1 -0.882 46.0 -79.9-131.4 163.6 11.4 -13.7 11.1 7 7 L E - 0 0 54 14,-0.6 3,-0.1 -2,-0.3 -1,-0.0 -0.325 38.0-139.9 -63.2 141.2 14.2 -13.4 8.5 8 8 L S S S- 0 0 93 1,-0.3 97,-2.1 96,-0.2 2,-0.3 0.807 75.8 -4.0 -69.5 -44.6 14.0 -9.9 7.1 9 9 L A E -d 105 0B 43 95,-0.2 2,-0.3 97,-0.0 -1,-0.3 -0.948 58.5-173.4-154.9 147.7 14.7 -10.9 3.5 10 10 L L E -d 106 0B 45 95,-2.5 97,-3.0 -2,-0.3 2,-0.4 -0.959 10.2-153.3-140.0 150.9 15.5 -14.0 1.5 11 11 L T E +d 107 0B 68 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.998 22.1 161.6-125.9 129.7 16.5 -14.5 -2.1 12 12 L T E -d 108 0B 10 95,-3.3 97,-2.2 -2,-0.4 6,-0.1 -0.797 31.3-122.6-134.3 177.6 15.8 -17.7 -4.0 13 13 L S > - 0 0 38 -2,-0.3 3,-1.6 95,-0.2 67,-0.2 -0.832 44.3 -82.9-117.9 159.1 15.7 -18.8 -7.6 14 14 L P T 3 S+ 0 0 62 0, 0.0 67,-0.2 0, 0.0 3,-0.1 -0.470 114.3 24.9 -66.3 126.9 12.6 -20.5 -9.3 15 15 L G T 3 S+ 0 0 49 65,-2.4 66,-0.1 1,-0.4 64,-0.1 0.123 100.3 110.5 105.4 -12.4 12.5 -24.2 -8.8 16 16 L E < - 0 0 105 -3,-1.6 64,-3.6 64,-0.3 63,-1.2 -0.325 68.7-112.8 -90.6 178.1 14.5 -24.2 -5.6 17 17 L T E - B 0 78A 83 61,-0.2 2,-0.3 62,-0.2 61,-0.2 -0.955 32.0-179.9-118.1 125.5 13.5 -24.8 -2.1 18 18 L V E - B 0 77A 14 59,-1.7 59,-2.2 -2,-0.5 2,-0.4 -0.935 11.9-155.5-119.6 152.5 13.5 -22.1 0.5 19 19 L T E - B 0 76A 57 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.986 4.5-165.0-130.6 131.9 12.6 -22.2 4.2 20 20 L L E - B 0 75A 0 55,-2.9 55,-2.5 -2,-0.4 2,-0.3 -0.921 13.5-153.1-114.2 144.8 11.4 -19.2 6.2 21 21 L T E - B 0 74A 21 -2,-0.4 -14,-0.6 53,-0.2 2,-0.4 -0.838 12.3-160.9-122.5 161.3 11.4 -19.4 10.0 22 22 L a E -AB 6 73A 0 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.928 13.2-173.3-140.1 116.1 9.5 -17.8 12.8 23 23 L R E -A 5 0A 29 -18,-2.2 -18,-2.9 -2,-0.4 2,-0.3 -0.801 14.6-142.8-115.5 147.5 10.8 -17.7 16.4 24 24 L S E > -A 4 0A 12 47,-0.4 3,-0.8 -2,-0.3 -20,-0.2 -0.834 13.2-140.2-102.0 153.1 9.1 -16.5 19.6 25 25 L S T 3 S+ 0 0 79 -22,-1.8 -1,-0.1 -2,-0.3 -21,-0.1 0.709 98.4 76.7 -81.7 -20.5 11.1 -14.8 22.4 26 26 L T T 3 S- 0 0 91 -23,-0.3 -1,-0.2 1,-0.1 -22,-0.1 0.738 114.8-107.5 -59.3 -25.8 9.1 -16.8 24.9 27 27 L G S < S+ 0 0 50 -3,-0.8 2,-0.4 44,-0.1 -1,-0.1 -0.377 80.2 27.8 132.9 -63.2 11.3 -19.7 24.0 28 28 L T - 0 0 86 -5,-0.1 2,-0.3 -2,-0.0 44,-0.2 -0.969 62.5-131.7-143.5 132.3 9.8 -22.5 21.9 29 29 L V - 0 0 6 42,-3.4 2,-0.3 -2,-0.4 42,-0.1 -0.561 33.1-176.8 -82.9 142.7 7.0 -22.6 19.4 30 30 L T > - 0 0 65 -2,-0.3 3,-2.3 38,-0.0 5,-0.4 -0.862 43.6 -98.9-132.5 168.9 4.5 -25.3 19.9 31 31 L T G > S+ 0 0 94 1,-0.3 3,-1.4 -2,-0.3 -2,-0.0 0.780 118.8 63.5 -54.5 -30.4 1.4 -26.8 18.3 32 32 L S G 3 S+ 0 0 74 1,-0.3 63,-0.4 2,-0.1 -1,-0.3 0.349 90.3 66.7 -87.6 14.2 -0.7 -24.8 20.7 33 33 L N G < S- 0 0 12 -3,-2.3 60,-2.4 61,-0.1 -1,-0.3 0.378 92.0-149.9-101.7 -9.3 0.6 -21.6 19.1 34 34 L Y < - 0 0 101 -3,-1.4 18,-0.8 -4,-0.2 -3,-0.1 0.785 18.7-144.0 36.5 48.0 -1.3 -22.6 15.9 35 35 L A - 0 0 0 -5,-0.4 18,-2.5 17,-0.2 2,-0.3 -0.033 17.8-162.9 -41.8 134.3 1.3 -20.8 13.7 36 36 L N E -E 91 0B 0 55,-2.1 55,-1.7 15,-0.2 2,-0.5 -0.905 11.1-152.6-122.0 150.7 -0.1 -19.2 10.7 37 37 L W E -EF 90 50B 0 13,-2.4 12,-2.9 -2,-0.3 13,-1.6 -0.996 13.9-171.3-128.8 117.9 1.6 -17.9 7.5 38 38 L V E -EF 89 48B 0 51,-2.7 51,-2.7 -2,-0.5 2,-0.4 -0.914 12.1-143.4-114.1 130.1 -0.0 -15.1 5.6 39 39 L Q E -EF 88 47B 15 8,-3.0 8,-2.0 -2,-0.4 2,-0.5 -0.812 7.1-158.4 -94.7 137.8 1.1 -13.8 2.2 40 40 L E E -EF 87 46B 17 47,-3.2 47,-1.9 -2,-0.4 6,-0.2 -0.949 13.0-177.6-111.2 111.7 1.0 -10.2 1.2 41 41 L K E > - F 0 45B 67 4,-2.6 4,-2.4 -2,-0.5 45,-0.1 -0.670 42.7 -63.4-107.7 162.5 1.0 -9.3 -2.5 42 42 L P T 4 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 44,-0.0 -0.144 120.0 37.5 -50.9 131.8 1.1 -5.9 -4.2 43 43 L D T 4 S- 0 0 150 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.678 128.6 -77.9 89.7 40.4 -1.8 -3.7 -3.5 44 44 L H T 4 S+ 0 0 84 1,-0.2 2,-0.7 -4,-0.1 -1,-0.1 0.876 78.7 161.8 47.0 42.6 -2.1 -4.8 0.2 45 45 L L E < -F 41 0B 114 -4,-2.4 -4,-2.6 2,-0.0 2,-0.4 -0.898 21.2-160.5 -97.7 110.6 -3.8 -8.1 -0.8 46 46 L F E +F 40 0B 12 -2,-0.7 272,-0.5 273,-0.4 2,-0.4 -0.805 12.6 179.1 -98.9 138.8 -3.6 -10.7 2.0 47 47 L T E -F 39 0B 52 -8,-2.0 -8,-3.0 -2,-0.4 2,-0.2 -0.986 26.7-133.2-136.7 121.6 -4.1 -14.5 1.7 48 48 L G E +F 38 0B 1 268,-2.0 -10,-0.2 -2,-0.4 3,-0.1 -0.591 28.6 174.4 -74.5 128.6 -3.8 -17.0 4.5 49 49 L L E + 0 0 4 -12,-2.9 8,-2.5 1,-0.4 2,-0.3 0.672 62.3 9.9-103.9 -48.8 -1.6 -19.8 3.2 50 50 L I E +FG 37 56B 0 -13,-1.6 -13,-2.4 6,-0.2 -1,-0.4 -0.999 63.4 172.2-134.9 137.7 -1.1 -22.1 6.2 51 51 L G E > + G 0 55B 0 4,-3.1 4,-3.3 -2,-0.3 3,-0.3 -0.717 60.2 39.9-137.5 176.8 -2.7 -22.2 9.7 52 52 L A T 4 S- 0 0 18 261,-1.3 2,-2.5 -18,-0.8 -17,-0.2 0.874 123.6 -73.7 49.1 47.7 -2.7 -24.5 12.7 53 53 L T T 4 S+ 0 0 2 -18,-2.5 -1,-0.3 1,-0.2 21,-0.2 -0.228 127.0 15.1 69.2 -54.5 1.0 -25.0 12.1 54 54 L N T 4 S+ 0 0 91 -2,-2.5 2,-0.7 -3,-0.3 12,-0.3 0.309 88.0 117.3-137.4 15.4 0.7 -27.2 9.0 55 55 L N E < -G 51 0B 77 -4,-3.3 -4,-3.1 258,-0.1 2,-0.3 -0.803 52.9-146.0 -91.4 116.9 -2.9 -27.0 7.7 56 56 L R E -G 50 0B 110 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.495 15.8-122.6 -78.0 137.2 -2.9 -25.6 4.2 57 57 L A > - 0 0 14 -8,-2.5 3,-1.5 -2,-0.3 -1,-0.1 -0.420 40.2 -82.0 -72.3 165.2 -5.9 -23.4 3.2 58 58 L A T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.293 113.5 17.1 -70.9 138.3 -8.1 -24.3 0.1 59 59 L G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.457 89.1 130.4 84.1 -4.0 -6.7 -23.2 -3.3 60 60 L V < - 0 0 19 -3,-1.5 -1,-0.3 -11,-0.1 4,-0.1 -0.722 69.0-103.1 -84.9 125.8 -3.2 -22.7 -2.0 61 61 L P > - 0 0 54 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.143 24.7-120.6 -46.5 141.8 -0.6 -24.5 -4.2 62 62 L V T 3 S+ 0 0 119 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.734 102.0 78.3 -56.9 -28.8 0.7 -27.7 -2.8 63 63 L R T 3 S+ 0 0 53 16,-0.1 15,-1.9 14,-0.1 2,-0.5 0.640 78.8 84.7 -62.0 -9.3 4.4 -26.5 -2.8 64 64 L F E < +C 77 0A 4 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.863 58.8 167.2 -92.3 135.8 3.7 -24.5 0.4 65 65 L S E -C 76 0A 50 11,-1.8 11,-2.6 -2,-0.5 2,-0.3 -0.997 23.1-146.4-144.5 155.2 4.1 -26.4 3.7 66 66 L G E +C 75 0A 11 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.852 26.0 150.5-121.2 154.5 4.3 -25.7 7.4 67 67 L S E -C 74 0A 43 7,-1.8 7,-3.1 -2,-0.3 2,-0.5 -0.906 44.2-106.6-164.2 170.3 6.2 -27.5 10.1 68 68 L L E -C 73 0A 63 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.955 37.3-176.9-106.3 133.2 7.9 -26.9 13.5 69 69 L I E > -C 72 0A 82 3,-3.2 3,-2.1 -2,-0.5 -40,-0.1 -0.983 61.9 -23.7-136.4 124.4 11.7 -27.0 13.2 70 70 L G T 3 S- 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.900 127.6 -43.7 44.3 58.4 14.1 -26.7 16.1 71 71 L G T 3 S+ 0 0 31 1,-0.2 -42,-3.4 -42,-0.1 -47,-0.4 0.475 124.6 91.5 70.4 1.8 11.7 -24.8 18.4 72 72 L K E < S- C 0 69A 75 -3,-2.1 -3,-3.2 -44,-0.2 2,-0.3 -0.879 77.1-113.8-121.9 159.7 10.5 -22.5 15.6 73 73 L A E -BC 22 68A 0 -51,-2.3 -51,-2.1 -2,-0.3 2,-0.4 -0.656 38.4-164.5 -92.1 153.4 7.6 -22.6 13.1 74 74 L A E -BC 21 67A 1 -7,-3.1 -7,-1.8 -2,-0.3 2,-0.5 -0.978 20.1-156.0-138.5 147.9 8.7 -22.9 9.4 75 75 L L E -BC 20 66A 0 -55,-2.5 -55,-2.9 -2,-0.4 2,-0.4 -0.990 15.5-168.2-119.8 128.9 7.3 -22.4 6.0 76 76 L T E -BC 19 65A 25 -11,-2.6 -11,-1.8 -2,-0.5 2,-0.5 -0.920 9.9-163.0-116.3 142.7 8.9 -24.3 3.1 77 77 L I E -BC 18 64A 0 -59,-2.2 -59,-1.7 -2,-0.4 2,-0.6 -0.989 9.8-162.3-121.4 113.4 8.2 -23.6 -0.5 78 78 L T E S+B 17 0A 81 -15,-1.9 -61,-0.2 -2,-0.5 -62,-0.1 -0.918 81.7 14.1 -98.5 112.0 9.5 -26.6 -2.6 79 79 L G S S- 0 0 19 -63,-1.2 -1,-0.3 -2,-0.6 -62,-0.2 0.905 91.3-146.9 88.2 50.5 9.8 -25.4 -6.2 80 80 L A - 0 0 0 -64,-3.6 -65,-2.4 -3,-0.5 2,-0.3 -0.268 14.6-150.0 -56.0 135.9 9.5 -21.7 -5.5 81 81 L Q > - 0 0 80 -67,-0.2 3,-2.6 -66,-0.1 4,-0.2 -0.767 23.5-109.2-109.8 157.3 7.8 -19.9 -8.4 82 82 L T G > S+ 0 0 73 -2,-0.3 3,-1.7 1,-0.3 26,-0.2 0.897 116.9 59.6 -50.4 -38.3 8.2 -16.4 -9.7 83 83 L E G 3 S+ 0 0 99 1,-0.3 -1,-0.3 27,-0.0 -3,-0.0 0.551 89.0 78.0 -75.6 -1.0 4.7 -15.3 -8.4 84 84 L D G < + 0 0 3 -3,-2.6 2,-0.3 2,-0.0 -1,-0.3 0.526 59.6 111.3 -82.4 -5.7 6.0 -16.2 -4.9 85 85 L E < + 0 0 23 -3,-1.7 2,-0.3 23,-0.2 22,-0.2 -0.561 54.2 99.9 -70.9 116.2 8.1 -13.0 -4.6 86 86 L A E S- H 0 106B 9 20,-1.4 20,-2.6 -2,-0.3 2,-0.4 -0.922 77.8 -71.2-176.8-174.1 6.0 -11.3 -1.9 87 87 L I E -EH 40 105B 41 -47,-1.9 -47,-3.2 -2,-0.3 2,-0.5 -0.868 38.8-158.6-110.1 138.1 6.0 -10.7 1.9 88 88 L Y E -EH 39 104B 0 16,-2.5 16,-2.8 -2,-0.4 2,-0.3 -0.970 7.0-170.6-121.3 119.0 5.3 -13.5 4.3 89 89 L F E -E 38 0B 3 -51,-2.7 -51,-2.7 -2,-0.5 2,-0.3 -0.866 6.9-155.4-106.3 147.3 4.1 -12.9 7.8 90 90 L a E -E 37 0B 0 -2,-0.3 11,-2.5 -53,-0.2 2,-0.4 -0.879 6.6-162.6-117.6 150.7 3.8 -15.5 10.6 91 91 L A E -EI 36 100B 0 -55,-1.7 -55,-2.1 -2,-0.3 2,-0.4 -0.992 3.5-155.5-133.8 139.4 1.4 -15.1 13.6 92 92 L L E - 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